1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide

C19H21N3O3 — CID 71935936

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1noc(C)c1NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H21N3O3/c1-11-18(12(2)25-21-11)20-19(24)15-9-17(23)22(10-15)16-7-6-13-4-3-5-14(13)8-16/h6-8,15H,3-5,9-10H2,1-2H3,(H,20,24)
InChIKeyQPMRXVDRIAFKOG-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.77
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71935936) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71935936
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1noc(C)c1NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H21N3O3/c1-11-18(12(2)25-21-11)20-19(24)15-9-17(23)22(10-15)16-7-6-13-4-3-5-14(13)8-16/h6-8,15H,3-5,9-10H2,1-2H3,(H,20,24)
InChIKeyQPMRXVDRIAFKOG-UHFFFAOYSA-N
XLogP2.77
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 167780443
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46581440
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953262
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 52529769
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146124051
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55748710
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46671621

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 71935936) is 1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide is Cc1noc(C)c1NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QPMRXVDRIAFKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11-18(12(2)25-21-11)20-19(24)15-9-17(23)22(10-15)16-7-6-13-4-3-5-14(13)8-16/h6-8,15H,3-5,9-10H2,1-2H3,(H,20,24).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71935936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).